6-(2-methylpropoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Systemtic Name: 6-(2-methylpropoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Openeye Name: 6-isobutoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide CAS Name: 6-(2-methylpropoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-pyridinecarboxamide IUPAC Name: 6-(2-methylpropoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Traditional Name: 6-isobutoxy-N-(6-mesyl-1,3-benzothiazol-2-yl)nicotinamide Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=NC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)COC1=NC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O4S2/c1-11(2)10-25-16-7-4-12(9-19-16)17(22)21-18-20-14-6-5-13(27(3,23)24)8-15(14)26-18/h4-9,11H,10H2,1-3H3,(H,20,21,22)